Vitas-M small molecule compound
4-[(E)-{2-[(4-tert-butylphenoxy)acetyl]hydrazinylidene}methyl]-2-methoxy-3-nitrophenyl acetate
Catalog ID
STK394722
SMILES COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)COc1ccc(cc1)C(C)(C)C)OC(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H25N3O7 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O7/c1-14(26)32-18-11-6-15(20(25(28)29)21(18)30-5)12-23-24-19(27)13-31-17-9-7-16(8-10-17)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,27)/b23-12+InChIKey
VYFSXHCKHPDGPF-FSJBWODESA-NSynonyms
(4((E)((2(4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenyl)acetate
4((E)(2((4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenylacetate
CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)C(C)(C)C)(N+)(=O)(O))OC
COc1c(ccc(c1(N+)(=O)(O))C=NNC(=O)COc1ccc(cc1)C(C)(C)C)OC(=O)C
InChI=1SC22H25N3O7c114(26)321811615(20(25(28)29)21(18)305)12232419(27)1331179716(81017)22(23)4h612H13H215H3(H2427)b2312+
MFCD00654555
ZINC000023411087
ZINC97024116
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